3-(2-chloro-4-fluoroanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-chloro-4-fluoroanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(2-chloro-4-fluoroanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0998 |
| Compound Name: | 3-(2-chloro-4-fluoroanilino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 355.79 |
| Molecular Formula: | C20 H15 Cl F N O2 |
| Smiles: | C1CCc2cc(ccc2C1)C1=C(C(C1=O)=O)Nc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.2918 |
| logD: | 5.0846 |
| logSw: | -5.9681 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.117 |
| InChI Key: | PTFFLCBKKVJOMX-UHFFFAOYSA-N |